6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

C16H24N2O2 — CID 43115457

IUPAC6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCC1CCCC(Nc2cc3c(cc2N)OCCO3)C1C
InChIInChI=1S/C16H24N2O2/c1-10-4-3-5-13(11(10)2)18-14-9-16-15(8-12(14)17)19-6-7-20-16/h8-11,13,18H,3-7,17H2,1-2H3
InChIKeyGMYLLVFGUVZAPD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.28
Rot. Bonds2

About 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine

6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (PubChem CID 43115457) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
PubChem CID43115457
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
SMILESCC1CCCC(Nc2cc3c(cc2N)OCCO3)C1C
InChIInChI=1S/C16H24N2O2/c1-10-4-3-5-13(11(10)2)18-14-9-16-15(8-12(14)17)19-6-7-20-16/h8-11,13,18H,3-7,17H2,1-2H3
InChIKeyGMYLLVFGUVZAPD-UHFFFAOYSA-N
XLogP3.28
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,3-dimethylcyclohexyl)-4-fluorobenzene-1,2-diamine
CID 43115458
2-chloro-1-N-(2,3-dimethylcyclohexyl)benzene-1,4-diamine
CID 43115465
N-(2,3-dimethylcyclohexyl)-2,4,5-trifluoroaniline
CID 64760115
methyl 3-amino-4-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 61305643
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 25162668
6-chloro-N-(2-methylthian-3-yl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 79957545
2-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclohexane-1,2-diamine
CID 115117806
4-fluoro-5-methyl-1-N-(2-methylcyclopentyl)benzene-1,2-diamine
CID 103590389
6-N-(methylsulfamoyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine
CID 114804542
5-amino-2-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 61295781
1-N-(2,3-dimethylcyclohexyl)-2,6-difluorobenzene-1,4-diamine
CID 54902981

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The IUPAC name of 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine (CID 43115457) is 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine.
What is the SMILES notation for 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The canonical SMILES for 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is CC1CCCC(Nc2cc3c(cc2N)OCCO3)C1C.
What is the InChIKey of 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
The InChIKey is GMYLLVFGUVZAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-4-3-5-13(11(10)2)18-14-9-16-15(8-12(14)17)19-6-7-20-16/h8-11,13,18H,3-7,17H2,1-2H3.
What are the key properties of 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine?
6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine has a molecular weight of 276.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylcyclohexyl)-2,3-dihydro-1,4-benzodioxine-6,7-diamine is sourced from PubChem (CID 43115457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).